(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C27H37N4O3S+ MolecularWeight: 497.67268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H36N4O3S/c1-23(30-21-19-29(20-22-30)16-8-11-24-9-4-2-5-10-24)27(32)28-25-12-14-26(15-13-25)35(33,34)31-17-6-3-7-18-31/h2,4-5,8-15,23H,3,6-7,16-22H2,1H3,(H,28,32)/p+1/b11-8+/t23-/m0/s1